SCHEMBL15858740

SCHEMBL15858740

CC(C)(C)Cc1cnc(C#N)nc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.37
CTSS P25774 11/20 0.37
NAAA Q02083 1/20 0.36
CTSL P07711 5/20 0.35
ESR1 P03372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20143957 0.76 CYP2A6 (0.43) CTSKCTSSNAAA
SCHEMBL13547908 0.75 AR (0.41) CTSKCTSSESR1
SCHEMBL21324869 0.73 ESR1 (0.39) ESR1
SCHEMBL441451 0.73 ESR1 (0.39) ESR1
SCHEMBL10245270 0.71 ESR1 (0.38) ESR1
SCHEMBL10201956 0.71 NUDT1 (0.44) ESR1
SCHEMBL4762481 0.71 ESR1 (0.38) ESR1
SCHEMBL440640 0.71 ESR1 (0.38) ESR1
SCHEMBL24149399 0.71 NAAA (0.39) NAAA
SCHEMBL17037513 0.71 KIF11 (0.39) CTSKCTSSNAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9799839-B2 Organometallic compound and organic light-emitting diode comprising the same Samsung Diplay Co., Ltd. (KR) 2017-10-24 US disclosed
US-9799839-B2 Organometallic compound and organic light-emitting diode comprising the same Samsung Diplay Co., Ltd. (KR) 2017-10-24 US disclosed
US-20140183467-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed
US-20140183467-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed